SCHEMBL25912277

SCHEMBL25912277

CC(C)Nc1ncc(-c2ccc3cc(Oc4ccnc(NC(=O)CCCC(C)Nc5ncc(-c6ccc7cc(Oc8ccnc(Br)c8)ccc7n6)c(=O)n5C)c4)ccc3n2)c(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.41
▸ PDGFRB P09619 4/20 0.41
▸ PDGFRA P16234 3/20 0.41
▸ LCK P06239 3/20 0.41
▸ KIT P10721 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ BRAF P15056 11/20 0.35
▸ HDAC3 O15379 3/20 0.32
▸ HDAC4 P56524 3/20 0.32
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC7 Q8WUI4 3/20 0.32
▸ HDAC2 Q92769 3/20 0.32
▸ HDAC10 Q969S8 3/20 0.32
▸ HDAC11 Q96DB2 3/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.32
▸ HDAC9 Q9UKV0 3/20 0.32
▸ HDAC5 Q9UQL6 3/20 0.32

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
SCHEMBL25910169 0.86 CSF1R (0.48) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25910170 0.86 CSF1R (0.48) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25911790 0.85 CSF1R (0.53) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25909917 0.83 PDGFRB (0.52) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25910551 0.82 CSF1R (0.49) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25910403 0.82 CSF1R (0.48) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25912706 0.81 CSF1R (0.43) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25910042 0.81 CSF1R (0.49) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25910172 0.79 BRAF (0.45) CSF1RPDGFRBPDGFRALCKKIT
SCHEMBL25913293 0.77 CSF1R (0.52) CSF1RPDGFRBPDGFRALCKKIT

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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