SCHEMBL5449403

SCHEMBL5449403

Cc1nc2c(O)c(CC[C@@H](O)c3ccccc3)c(C(=O)NC3CC3)cn2c1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
CXCR2 P25025 1/20 0.38
BRD4 O60885 6/20 0.36
TTK P33981 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5327514 1.00 MCHR1 (0.41) MCHR1CXCR2BRD4TTKRAB9A
SCHEMBL5327517 1.00 MCHR1 (0.41) MCHR1CXCR2BRD4TTKRAB9A
SCHEMBL5569980 0.88 LMNA (0.38) CXCR2RAB9ANPC1KDM4EPOLB
SCHEMBL5569978 0.88 LMNA (0.38) CXCR2RAB9ANPC1KDM4EPOLB
SCHEMBL4977670 0.85 P2RX3 (0.36) RAB9ANPC1KDM4EMAPT
SCHEMBL5328503 0.83 ADRA1D (0.40) BRD4RAB9ANPC1
SCHEMBL4977432 0.82 PRKDC (0.34) CXCR2RAB9ANPC1MAPT
SCHEMBL5451120 0.82 PRKDC (0.34) CXCR2RAB9ANPC1MAPT
SCHEMBL5566372 0.82 PRKDC (0.34) CXCR2RAB9ANPC1MAPT
SCHEMBL5566461 0.81 KMT2A (0.39) CXCR2RAB9ANPC1KDM4EPOLB

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-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed