SCHEMBL3722179

SCHEMBL3722179

CSc1ncc(C(N)=O)c(N(c2ccccc2)C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIM1 P11309 4/20 0.39
▸ PIM2 Q9P1W9 4/20 0.39
▸ TTK P33981 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RXFP1 Q9HBX9 4/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SYK P43405 1/20 0.35

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
SCHEMBL3716217 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBTDP1THRB
SCHEMBL3723384 0.84 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBTDP1KDM4E
SCHEMBL3713598 0.80 MEN1 (0.36) MEN1KMT2ASYK
SCHEMBL3718972 0.77 CYP3A4 (0.43) MEN1KMT2ASYK
SCHEMBL13733958 0.73 JAK2 (0.47) PIM1PIM2TTKMEN1KMT2A
SCHEMBL3715143 0.73 MAP3K5 (0.51) SYK
SCHEMBL2713930 0.71 OPRM1 (0.39) ALDH1A1SYK
SCHEMBL3718752 0.70 SYK (0.44) SYK
SCHEMBL1313173 0.68 MAPK8 (0.58) SMN1; SMN2ALDH1A1PDE4BMAPTSYK
SCHEMBL913766 0.67 VNN1 (0.43) SMN1; SMN2ALDH1A1POLBTDP1THRB

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-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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