SCHEMBL22989196

SCHEMBL22989196

Nc1ccc(Cc2c[nH]c3ncc(N4CCOCC4)cc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.49
▸ CYP3A4 P08684 3/20 0.48
▸ CLK1 P49759 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ MAP4K1 Q92918 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ CYP2C19 P33261 3/20 0.39
▸ IL2 P60568 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ MTOR P42345 2/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37

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
SCHEMBL14705849 0.80 NTRK1 (0.49) CYP3A4MAP4K1CSF1RHTR1AKIT
SCHEMBL3504849 0.78 MAPK1 (0.44) MAPK1CYP3A4CLK1DYRK1AMAP4K1
SCHEMBL22988849 0.77 CSF1R (0.46) MAPK1CYP3A4CLK1DYRK1AMAP4K1
SCHEMBL15102137 0.76 CYP3A4 (0.63) CYP3A4MAP4K1KLKB1CYP2C19CYP2D6
SCHEMBL29883593 0.76 CYP3A4 (0.63) CYP3A4MAP4K1KLKB1CYP2C19CYP2D6
SCHEMBL1267807 0.75 CYP2C9 (0.61) MAPK1CYP3A4CLK1DYRK1ACYP2C19
SCHEMBL22978460 0.73 CSF1R (0.60) CYP3A4CYP2C19CYP2D6CSF1R
SCHEMBL22989186 0.73 CYP3A4 (0.43) CYP3A4MAP4K1CYP2C19CYP2D6BRD4
SCHEMBL31370208 0.72 MAPK1 (0.43) MAPK1CYP3A4CLK1DYRK1AMAP4K1
SCHEMBL3504846 0.72 STAT6 (0.47) MAPK1MAP4K1KLKB1

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-2018233526-A9 CSF1R INHIBITOR, AND MANUFACTURING METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2021-02-18 — — WO disclosed
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