SCHEMBL7717985

SCHEMBL7717985

CC1(C)CC(CCCCNc2ncnc(NCCO)n2)CC(C)(C)N1O[C@@H]1CCCC[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNB3 Q8WWL7 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
SCHEMBL6300713 0.93 KMT2A (0.34) CDK1CDK2CCNB2CCNB1CCNA2
SCHEMBL6300711 0.93 KMT2A (0.34) CDK1CDK2CCNB2CCNB1CCNA2
SCHEMBL599442 0.82 TNKS2 (0.31)
SCHEMBL526852 0.80 KMT2A (0.36) CDK1CDK2CCNB2CCNB1CCNA2
SCHEMBL9428560 0.79 KMT2A (0.38) CDK1CDK2CCNB2CCNB1CCNA2
SCHEMBL9428455 0.79 KMT2A (0.38) CDK1CDK2CCNB2CCNB1CCNA2
SCHEMBL7715499 0.79 KMT2A (0.31)
SCHEMBL163157 0.78
SCHEMBL8653406 0.76
SCHEMBL9427851 0.75 KMT2A (0.40)

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
US-6376584-B1 OXIDATION RESISTANCE, HEAT RESISTANCE, PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-23 US disclosed