SCHEMBL25911530

SCHEMBL25911530

Cn1cc(-c2cc(OCO)ccn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 15/20 0.48
▸ PDGFRA P16234 9/20 0.46
▸ PDGFRB P09619 7/20 0.46
▸ FLT3 P36888 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ MET P08581 2/20 0.46
▸ KIT P10721 4/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ ACVR1B P36896 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL16561327 0.84 CCR1 (0.58) CSF1RPDGFRAPDGFRBFLT3KDR
SCHEMBL18397077 0.79 PIM1 (0.52) CSF1RFLT3KDRLRRK2ACVR1B
SCHEMBL29538946 0.79 PIM1 (0.52) CSF1RFLT3KDRLRRK2ACVR1B
SCHEMBL14447156 0.79 FYN (0.58) CSF1RPDGFRAPDGFRBFLT3KDR
SCHEMBL24316789 0.77 FYN (0.54) CSF1RKDRLRRK2ACVR1BTGFBR1
SCHEMBL29539345 0.77 FYN (0.54) CSF1RKDRLRRK2ACVR1BTGFBR1
SCHEMBL29736768 0.77 KDR (0.52) CSF1RPDGFRAPDGFRBFLT3KDR
SCHEMBL574068 0.77 KDR (0.52) CSF1RPDGFRAPDGFRBFLT3KDR
SCHEMBL16029060 0.77 CSF1R (0.51) CSF1RPDGFRAPDGFRBFLT3KDR
SCHEMBL11983571 0.77 CCR1 (0.55) KDRLRRK2ACVR1BTGFBR1PIM1

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-2023125812-A1 SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2023-07-06 — — WO disclosed
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