SCHEMBL2729936

SCHEMBL2729936

CC(=O)N1CCN(c2ccc(NC3=NC(Nc4cc(C)cc(C)c4)=C(C(N)=O)CN3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.49
▸ ALK Q9UM73 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GFER P55789 2/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL15452313 0.76 SYK (0.55) SYKMAPTKMT2AALDH1A1
SCHEMBL15161237 0.73 SYK (0.46) SYKALKCYP2C9CYP2C19AURKB
SCHEMBL2728249 0.72 SYK (0.53) SYKALK
SCHEMBL15452303 0.72 SYK (0.44) SYKALKMAPTMEN1KMT2A
SCHEMBL15452310 0.69 EML4 (0.45) SYKALK
SCHEMBL2717457 0.66 SYK (0.72) SYKALKNPC1PKM
SCHEMBL29865406 0.66 SYK (1.00) SYK
SCHEMBL735824 0.66 SYK (1.00) SYK
SCHEMBL2719026 0.65 SYK (0.57) SYKALKMAPTMEN1KMT2A
SCHEMBL736081 0.64 SYK (1.00) SYK

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-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
Send feedback