SCHEMBL6199102

SCHEMBL6199102

Ic1cc2c(ccc3cn[nH]c32)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NOS1 P29475 8/20 0.37
METAP2 P50579 3/20 0.33
DYRK1A Q13627 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
FGFR1 P11362 3/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL6194058 0.81 NOS1 (0.43) MAPTNOS1METAP2DYRK1AKDM4E
SCHEMBL6197375 0.81 MAPT (0.45) MAPTNOS1METAP2DYRK1AKDM4E
SCHEMBL6198760 0.81 NOS1 (0.43) MAPTNOS1METAP2DYRK1AKDM4E
SCHEMBL6195962 0.78 MAPT (0.38) MAPTNOS1KDM4EHTTRET
SCHEMBL6197138 0.78 MAPT (0.38) MAPTNOS1METAP2DYRK1AKDM4E
SCHEMBL6196219 0.78 MAPT (0.38) MAPTNOS1DYRK1AHTTAURKA
SCHEMBL6196073 0.78 MAPT (0.38) MAPTNOS1METAP2DYRK1AKDM4E
SCHEMBL2048983 0.71 MAPT (0.41) MAPTNOS1KDM4EMEN1KMT2A
SCHEMBL19303388 0.70 GPR3 (0.43) MAPTKDM4ECYP1A2HPGDSMN1; SMN2
SCHEMBL276444 0.66 HSD17B10 (0.53) MAPTNOS1METAP2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990650-B1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 EP disclosed
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP disclosed