SCHEMBL6852913

SCHEMBL6852913

CCCCOC(=O)NCCCCNc1nc(C(F)(F)F)c(-c2ccnc(Nc3cccc(C(=O)OCC)c3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CDK2 P24941 8/20 0.46
▸ CDK9 P50750 6/20 0.46
▸ CDK1 P06493 6/20 0.46
▸ CCNT1 O60563 5/20 0.46
▸ CCNA2 P20248 5/20 0.46
▸ CDK7 P50613 5/20 0.46
▸ CCNB1 P14635 4/20 0.46
▸ CCNH P51946 4/20 0.46
▸ CCNA1 P78396 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ SCN9A Q15858 3/20 0.39
▸ ABL1 P00519 3/20 0.39

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
SCHEMBL5999180 0.92 SYK (0.49) SYKNPC1RAB9ASMN1; SMN2CDK2
SCHEMBL5998978 0.80 SYK (0.59) SYKNPC1RAB9ASMN1; SMN2CDK2
SCHEMBL5998979 0.80 SYK (0.59) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4903303 0.68 ABL1 (0.66) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5732836 0.68 SYK (0.61) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1927060 0.68 ABL1 (0.80) SYKNPC1RAB9ASMN1; SMN2HPGD
Water SCHEMBL7817247 0.67 SYK (0.59) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL19347450 0.66 SYK (1.00) SYK
SCHEMBL5998636 0.66 SMN1; SMN2 (0.57) SYKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4904236 0.66 ABL1 (0.58) SYKNPC1RAB9ASMN1; SMN2HPGD

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-2004078682-A2 CYCLIC COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-09-16 — — WO disclosed
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