SCHEMBL28636829

SCHEMBL28636829

COCCn1ccc2c(N)ncc(C#N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.37
▸ NSD3 Q9BZ95 2/20 0.37
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ RET P07949 1/20 0.33

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
SCHEMBL30335860 0.71 PRMT5 (0.46) NSD2NSD3LMNAHPGD
SCHEMBL2078531 0.67 JAK3 (0.37) ALDH1A1LMNAKDM4EMAPK1GLA
SCHEMBL30515984 0.67 PDE8B (0.46) MAPTALDH1A1LMNAKDM4EGLA
SCHEMBL29063941 0.67 PDE8B (0.46) MAPTALDH1A1LMNAKDM4EGLA
SCHEMBL2075577 0.64 PKM (0.49) ALDH1A1LMNAKDM4EMAPK1GLA
SCHEMBL30914201 0.64 MEN1 (0.46) NSD2NSD3MAPTKDM4EMAPK1
SCHEMBL24128361 0.63 KMT2A (0.37) ALDH1A1LMNAKDM4EGLAGAA
SCHEMBL23906401 0.63 ADORA2A (0.37) —
SCHEMBL28646118 0.62 ADORA2A (0.46) NSD2MAPTALDH1A1KDM4EMAPK1
SCHEMBL19630056 0.61 ENPP1 (0.40) ALDH1A1KDM4EGAAHPGDEGFR

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
CN-113527337-A Fused ring compounds as FGFR4 inhibitors 齐鲁制药有限公司 2021-10-22 — — CN disclosed
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