SCHEMBL15028229

SCHEMBL15028229

CC(C)N1CNc2c(NCC(O)c3ccc(O)cc3)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GSK3B P49841 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NMUR2 Q9GZQ4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL2313618 0.76 CDK1 (0.47) CDK2
SCHEMBL15028189 0.69 MEN1 (0.32) ALDH1A1CYP2C9
SCHEMBL15028204 0.65 MEN1 (0.31) ALDH1A1CYP2C9
SCHEMBL2316755 0.61 AHR (0.43) KDM4E
SCHEMBL30476568 0.61 GGPS1 (0.41) —
SCHEMBL2312913 0.61 GGPS1 (0.41) —
SCHEMBL2315103 0.61 AHR (0.58) CCNA2CDK2CCNA1
SCHEMBL2313622 0.60 AHR (0.44) CCNA2CDK2CCNA1
SCHEMBL20901549 0.58 JAK2 (0.39) —
SCHEMBL21016815 0.58 HTR7 (0.37) ALDH1A1SMN1; SMN2

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-2013086436-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-06-13 — — WO disclosed
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