SCHEMBL5597804

SCHEMBL5597804

Cc1ccnc(Cl)c1Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CXCR2 P25025 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 1/20 0.40
NPC1 O15118 1/20 0.40
PDPK1 O15530 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
KIT P10721 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR3 P22607 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40

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
SCHEMBL28811513 0.81 CXCR2 (0.42) POLBCXCR2MAPTMAPK1CHEK1
SCHEMBL12100569 0.79 NOS2 (0.47) CXCR2MAPTMAPK1CHEK1IKBKB
SCHEMBL28015638 0.77 RAB9A (0.43) POLBMAPTNPC1RAB9AMEN1
SCHEMBL23240442 0.75 PIK3C3 (0.38) NPC1RAB9ALMNAALDH1A1
SCHEMBL19552432 0.73 NOS2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL3224534 0.73 CCR1 (0.35)
SCHEMBL9980898 0.73 ATR (0.42) POLBMAPTNPC1RAB9AKMT2A
SCHEMBL31695932 0.72 PIN1 (0.52) POLBCXCR2MAPTMAPK1NPC1
SCHEMBL8014673 0.72 ALDH1A1 (0.61) CXCR2MAPTMAPK1RAB9AHPGD
SCHEMBL14618510 0.72 PTGS2 (0.53) CXCR2MAPTMAPK1HPGDMEN1

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-2007010352-A1 AN IMPROVED PROCESS FOR INDUSTRIAL MANUFACTURE OF NEVIRAPINE EMCURE PHARMACEUTICALS LIMITED (IN) 2007-01-25 WO disclosed