SCHEMBL4072996

SCHEMBL4072996

Cc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3cccc4cccnc34)sc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 7/20 0.40
PIP4K2C Q8TBX8 7/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FLT1 P17948 7/20 0.36
EGFR P00533 5/20 0.36
KDR P35968 2/20 0.36
TYK2 P29597 1/20 0.36
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
PRKCI P41743 1/20 0.32
CNR2 P34972 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL4068191 0.89 FLT1 (0.38) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL4075468 0.89 NPC1 (0.39) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL3939316 0.88 NPC1 (0.39) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL4077908 0.88 STK17B (0.40) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL4072990 0.87 NPC1 (0.39) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL4071195 0.86 FLT1 (0.46) NPC1RAB9AFLT1EGFRKDR
SCHEMBL4070509 0.86 NPC1 (0.37) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL4065656 0.85 FLT1 (0.45) NPC1RAB9AFLT1EGFRKDR
SCHEMBL3936999 0.85 NPC1 (0.42) PIP4K2APIP4K2CNPC1RAB9AFLT1
SCHEMBL4251366 0.85 KMT2A (0.39) PIP4K2APIP4K2CNPC1RAB9AFLT1

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
EP-2014662-A1 Indolyl alkyl thieno-pyrimidyl amines as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP disclosed