SCHEMBL2647045

SCHEMBL2647045

Nc1cc(-n2cccc2)ccc1Nc1cccc(-c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
PSIP1 O75475 1/20 0.43
AXL P30530 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ABL1 P00519 7/20 0.43
BCR P11274 4/20 0.43
PDGFRB P09619 3/20 0.43
SRC P12931 2/20 0.43
PRKCA P17252 2/20 0.43
PRKCD Q05655 2/20 0.43
PDGFRA P16234 1/20 0.43
FLT3 P36888 1/20 0.41
EGFR P00533 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
HDAC1 Q13547 7/20 0.39
KDR P35968 2/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL2647222 0.89 CNR1 (0.38) MEN1ABL1BCRPDGFRBSRC
SCHEMBL2649533 0.81 ALDH1A1 (0.44) ABL1BCRPDGFRBSRCPRKCA
SCHEMBL2654019 0.80 CYP11B1 (0.50) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL2647429 0.80 RET (0.42) HDAC1KDRCNR1BACE1HDAC2
SCHEMBL8323635 0.80 DHFR (0.40) ABL1BCRPDGFRBSRCPRKCA
SCHEMBL22497669 0.79 HDAC1 (0.56) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL2655356 0.78 ABL1 (0.47) MEN1ABL1BCRPDGFRBSRC
SCHEMBL2654381 0.76 DHODH (0.47) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL2643439 0.75 NPC1 (0.53) MEN1ABL1BCRPDGFRBPDGFRA
SCHEMBL2647397 0.70 L3MBTL1 (0.40) MEN1ABL1BCRSRCPRKCA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821683-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2006-11-02 EP disclosed
US-5902813-A MODULATORS OF THE BENZODIAXEPINE RECEPTOR OT THE GAMMA-BUTYRIC ACID(A) RECEPTOR COMPLEX; ANXIOLYTIC, ANTIEPILEPTIC AND -CONVULSANT AGENTS; SLEEP AND MEMORY DISORDERS NEUROSEARCH A/S (DK) 1999-05-11 US disclosed
EP-0821683-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033192-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed