SCHEMBL8499581

SCHEMBL8499581

N[C@H](CNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1)Cc1ccccc1.O=c1[nH]c(NCCCc2ncc[nH]2)nc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.42
PRKCI P41743 9/20 0.36
MAPK9 P45984 3/20 0.35
MAP4K4 O95819 2/20 0.35
CSNK1D P48730 2/20 0.35
CDC42BPA Q5VT25 2/20 0.35
MINK1 Q8N4C8 2/20 0.35
FRK P42685 1/20 0.35
CSNK1A1 P48729 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
MAPK13 O15264 2/20 0.35
MAPK14 Q16539 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LYN P07948 1/20 0.35
PRKACA P17612 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK10 P53779 1/20 0.35
MAP3K10 Q02779 1/20 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
SCHEMBL8499579 0.82 MAPK9 (0.39) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
SCHEMBL8498518 0.81 PRKCI (0.51) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
SCHEMBL7210479 0.79 ADORA1 (0.52) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
SCHEMBL7210499 0.79 ADORA1 (0.52) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
SCHEMBL7210481 0.79 ADORA1 (0.52) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
Hydrochloric Acid SCHEMBL7216474 0.78 ADORA1 (0.51) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
Hydrochloric Acid SCHEMBL7216482 0.78 ADORA1 (0.51) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
Hydrochloric Acid SCHEMBL7216480 0.78 ADORA1 (0.51) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA
SCHEMBL6936731 0.76 NAMPT (0.44) NAMPTMAPK13MAPK14MAPK12
SCHEMBL6935679 0.75 PRKCI (0.51) PRKCIMAPK9MAP4K4CSNK1DCDC42BPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed