SCHEMBL9623862

SCHEMBL9623862

CCc1ccnc2ccc(C(C)C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
ROCK2 O75116 1/20 0.39
TYR P14679 1/20 0.38
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11649185 0.88 MTNR1A (0.33) MTNR1AMTNR1BROCK2TYRAURKA
SCHEMBL825930 0.84 MTNR1A (0.40) MTNR1AMTNR1BROCK2LOXL2IRAK4
SCHEMBL12120795 0.77 IRAK4 (0.38) TYRAURKADAPK3JAK2MAP4K4
SCHEMBL12702866 0.77 SMN1; SMN2 (0.49) TYRAURKADAPK3JAK2MAP4K4
SCHEMBL12031050 0.77 HTR1A (0.56) MTNR1AMTNR1BROCK2LOXL2HTR1A
SCHEMBL26325454 0.77 NOS3 (0.44) MTNR1AMTNR1BROCK2ACVR1CLK4
SCHEMBL11729538 0.76 DYRK1B (0.40) TYRAURKADAPK3JAK2MAP4K4
SCHEMBL17059459 0.76 PARP1 (0.45) MTNR1AMTNR1BROCK2LOXL2HTR1A
SCHEMBL11011054 0.76 TYR (0.47) TYRAURKADAPK3JAK2MAP4K4
SCHEMBL20392611 0.76 SLC22A12 (0.53) MTNR1AMTNR1BABL1FLT3ACVR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4086229-A Dinitrosyldihalo complexes of molybdenum or tungsten PHILLIPS PETROLEUM COMPANY (US) 1978-04-25 US claimed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-5110902-A High molecular weight polythioether-sulfones PHILLIPS PETROLEUM COMPANY (US) 1992-05-05 US disclosed
US-5086163-A High molecular weight polymers formed by contacting dihaloaromatic sulfone with complex of alkali metal aminoalkanoate and alkalimetal hydrosulfide PHILLIPS PETROLEUM COMPANY (US) 1992-02-04 US disclosed
US-5015725-A Heat resistant thermoplastic resins for electrical components, aircraft or automobile parts, protective coatings PHILLIPS PETROLEUM COMPANY (US) 1991-05-14 US disclosed
EP-0309955-A1 Aromatic sulfide/sulfone polymer production PHILLIPS PETROLEUM COMPANY (US) 1989-04-05 EP disclosed
US-4086229-A Dinitrosyldihalo complexes of molybdenum or tungsten PHILLIPS PETROLEUM COMPANY (US) 1978-04-25 US disclosed
US-4070349-A Aromatic sulfide/sulfone polymer production PHILLIPS PETROLEUM COMPANY (US) 1978-01-24 US disclosed