SCHEMBL28370880

SCHEMBL28370880

COc1ccc(CNc2ncc(-c3cnn(C)c3)c3c2c(-c2ccc(Oc4ccccc4)cc2)nn3C2CCCN(C(=O)O)C2C(C)(C)C)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ BTK Q06187 5/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ CYP3A4 P08684 6/20 0.34
▸ CYP2C19 P33261 6/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ CYP2C9 P11712 5/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ TSHR P16473 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL21903891 0.85 BTK (0.44) BTKEGFR
SCHEMBL21965241 0.84 BTK (0.36) KDRFGFR3MAPTBTKCYP1A2
SCHEMBL22009288 0.80 BTK (0.35) KDRFGFR3BTK
SCHEMBL21903856 0.79 BTK (0.41) KDRFGFR3BTKCYP1A2CYP3A4
SCHEMBL21903852 0.79 BTK (0.41) KDRFGFR3BTKCYP1A2CYP3A4
SCHEMBL31684267 0.78 BTK (0.45) BTKEGFR
SCHEMBL21903750 0.78 BTK (0.45) BTKEGFR
SCHEMBL21965629 0.78 IRAK1 (0.42) KDRFGFR3MAPTBTK
SCHEMBL21903725 0.75 BTK (0.51) BTKEGFR
SCHEMBL21903730 0.75 BTK (0.51) BTKEGFR

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-110914266-A Novel 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same 株式会社大熊制药 2020-03-24 — — CN disclosed
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