SCHEMBL22978457

SCHEMBL22978457

COc1cnc2[nH]cc(Cc3ccc(NC(=O)CC(=C=O)C(C)(C)C)nc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 2/20 0.56
▸ CYP3A4 P08684 10/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 5/20 0.41
▸ CYP2C9 P11712 5/20 0.40
▸ FGFR4 P22455 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39

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
SCHEMBL22988844 0.89 CSF1R (0.59) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22978448 0.85 CSF1R (0.55) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22978456 0.83 CSF1R (0.56) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22988858 0.83 CSF1R (0.58) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22988850 0.83 CSF1R (0.58) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22978446 0.80 CSF1R (0.56) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22988857 0.75 CSF1R (0.49) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22988845 0.75 CSF1R (0.49) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22988859 0.74 CSF1R (0.47) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2
SCHEMBL22978460 0.72 CSF1R (0.60) CSF1RCYP3A4MTNR1AMTNR1BCYP1A2

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 3 patents. 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
CN-110461849-B CSF1R inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-09-01 — — CN disclosed
CN-110461849-A A kind of CSF1R inhibitor and its preparation method and application ABBISKO THERAPEUTICS CO LTD 2019-11-15 — — CN disclosed
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