SCHEMBL7250905

SCHEMBL7250905

Cc1nn(C)c(-c2ccccc2)c1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CDK8 P49336 1/20 0.45
ACVR1 Q04771 1/20 0.45
GRM5 P41594 4/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
BLM P54132 2/20 0.41
APAF1 O14727 1/20 0.41
KDM4A O75164 1/20 0.41
TDP2 O95551 1/20 0.41
EGFR P00533 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL27519517 0.88 PDE2A (0.46) MAPTGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL5255885 0.79 MAPT (0.56) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL16200166 0.75 KDM4E (0.42) MAPTGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL14996573 0.73 MAPT (0.52) MAPTCDK8ACVR1GRM5NPC1
SCHEMBL8138943 0.71 KDR (0.48) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL11591603 0.71 NPC1 (0.67) MAPTGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4158211 0.70 MAPT (0.49) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL7755885 0.70 MAPT (0.49) MAPTCDK8ACVR1GRM5NPC1
SCHEMBL11656557 0.70 MAPT (0.58) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL13184354 0.70 KDM4E (0.43) MAPTGRM5NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed