SCHEMBL4590384

SCHEMBL4590384

COc1nc(N2CCNC(C)C2)cnc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.39
HRH4 Q9H3N8 1/20 0.38
ACVR1 Q04771 7/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
PRKCQ Q04759 3/20 0.36
PRKCD Q05655 1/20 0.36
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
HDAC1 Q13547 1/20 0.35
CDK4 P11802 2/20 0.35

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
SCHEMBL4573273 1.00 ZAP70 (0.39) ZAP70HRH4ACVR1FGFR1FGFR2
SCHEMBL8117698 0.79 PRKCQ (0.41) ZAP70ACVR1FGFR1FGFR2FGFR3
SCHEMBL4573257 0.78 HRH4 (0.40) ZAP70HRH4ACVR1FGFR1FGFR2
SCHEMBL4573225 0.78 HRH4 (0.40) ZAP70HRH4ACVR1FGFR1FGFR2
SCHEMBL4573182 0.75 PIK3CD (0.41)
SCHEMBL8113211 0.75 ROCK2 (0.39) ZAP70HRH4ACVR1FGFR1FGFR2
SCHEMBL4573826 0.74 ZAP70 (0.45) ZAP70ACVR1PRKCQPRKCDPIM1
SCHEMBL8123583 0.72 ZAP70 (0.45) ZAP70ACVR1FGFR1FGFR2FGFR3
SCHEMBL23744101 0.71 NPC1 (0.48) ZAP70HRH4PRKCQPRKCD
SCHEMBL30345769 0.71 NPC1 (0.48) ZAP70HRH4PRKCQPRKCD

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed