SCHEMBL28533353

SCHEMBL28533353

COC(=O)c1cnc(Cl)nc1NC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
AXL P30530 2/20 0.48
NR2F2 P24468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
S1PR2 O95136 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47
RAB9A P51151 1/20 0.47
PPP1CA P62136 1/20 0.47
MAPK8 P45983 8/20 0.45
SYK P43405 3/20 0.45
OPRK1 P41145 1/20 0.45
RIPK1 Q13546 1/20 0.44
MERTK Q12866 1/20 0.43

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
SCHEMBL20354306 0.97 KMT2A (0.51) KMT2AAXLNR2F2NPSR1KDM4E
SCHEMBL26930786 0.90 MERTK (0.47) KMT2AAXLMAPK8MERTKMAPK9
SCHEMBL17167992 0.90 MERTK (0.47) KMT2AAXLMAPK8MERTKMAPK9
SCHEMBL16435468 0.90 MERTK (0.47) KMT2AAXLMAPK8MERTKMAPK9
SCHEMBL14657977 0.88 MAPK8 (0.55) KMT2AMAPK8SYKOPRK1MAPK9
SCHEMBL30873290 0.88 MAPK8 (0.55) KMT2AMAPK8SYKOPRK1MAPK9
SCHEMBL4070421 0.87 NR2F2 (0.62) KMT2AAXLNR2F2NPSR1KDM4E
SCHEMBL29501978 0.86 NR2F2 (0.63) KMT2AAXLNR2F2NPSR1KDM4E
SCHEMBL20299361 0.86 NR2F2 (0.63) KMT2AAXLNR2F2NPSR1KDM4E
SCHEMBL31360739 0.86 KMT2A (0.57) KMT2AAXLNR2F2NPSR1KDM4E

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
CN-108586356-B Ribociclib new intermediate and synthetic method for preparing Ribociclib by using same 杭州科巢生物科技有限公司 2021-02-19 CN disclosed