SCHEMBL30786102

SCHEMBL30786102

CCNC(=O)c1cccc(F)c1Sc1ccc2c(/C=C/c3ccc(CN4CCCC4)cn3)cn(C3CCCCO3)c2c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
CDK6 Q00534 1/20 0.32
BDKRB1 P46663 2/20 0.32
ALK Q9UM73 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDPK1 O15530 1/20 0.31
P2RX7 Q99572 2/20 0.30
IL1B P01584 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
PARP1 P09874 1/20 0.30
TNK1 Q13470 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL31475241 0.94 BDKRB1 (0.32) CDK6BDKRB1PDCD1CD274HDAC1
SCHEMBL30786151 0.81 MCHR1 (0.36)
SCHEMBL30786153 0.80 KDR (0.36) KMT2A
SCHEMBL30786218 0.79 KDR (0.31)
SCHEMBL31517072 0.78 KDR (0.48) CHEK1ALKPDPK1TNK1HDAC6
SCHEMBL30786226 0.77 CHEK1 (0.34) CHEK1MEN1KMT2A
SCHEMBL31475216 0.76 DRD2 (0.33) PDPK1
SCHEMBL30786126 0.76 DRD2 (0.32)
SCHEMBL31475221 0.76 PRKCQ (0.34) CDK6PDCD1CD274
SCHEMBL30786128 0.76 CNR1 (0.31)

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-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
CN-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed