SCHEMBL25913001

SCHEMBL25913001

COc1nc(NC(C)C)ncc1-c1ccc2cc(Oc3ccnc(Br)c3)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.35
▸ CSF1R P07333 4/20 0.34
▸ PDGFRA P16234 4/20 0.34
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PTK6 Q13882 1/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ KDR P35968 1/20 0.31

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
SCHEMBL30467033 1.00 BRAF (0.35) BRAFCSF1RPDGFRAHDAC8HDAC6
SCHEMBL25912751 0.85 MAPK8 (0.39) BRAFCSF1RPDGFRBMAPK8IRAK4
SCHEMBL25913590 0.84 CSF1R (0.43) BRAFCSF1RPDGFRAPDGFRB
SCHEMBL25912909 0.84 PDGFRB (0.50) BRAFCSF1RPDGFRAPDGFRBLCK
SCHEMBL25911299 0.83 CSF1R (0.52) CSF1RPDGFRAPDGFRBLCKKIT
SCHEMBL25914331 0.82 DYRK1A (0.35) BRAFHDAC8HDAC6IRAK4
SCHEMBL25913006 0.81 CSF1R (0.40) BRAFCSF1RPDGFRAPDGFRBIRAK4
SCHEMBL25911790 0.79 CSF1R (0.53) BRAFCSF1RPDGFRAPDGFRBLCK
SCHEMBL25912706 0.73 CSF1R (0.43) BRAFCSF1RPDGFRAPDGFRBLCK
SCHEMBL16048014 0.72 CSF1R (0.47) CSF1RPDGFRAPDGFRBMAPK8LCK

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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