SCHEMBL31580409

SCHEMBL31580409

NC1CCN(C(=O)c2ccc3[nH]nc(C#Cc4ccccc4-c4ccccc4)c3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
KDM1A O60341 17/20 0.44
FLT3 P36888 1/20 0.40

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
SCHEMBL31581037 1.00 KDR (0.45) KDRCCNCCDK8KDM1AFLT3
SCHEMBL31580699 1.00 KDR (0.45) KDRCCNCCDK8KDM1AFLT3
SCHEMBL31580341 0.91 PDK2 (0.43) CCNCCDK8
SCHEMBL31580365 0.91 PDK2 (0.43) CCNCCDK8
SCHEMBL31580625 0.91 PDK2 (0.43) CCNCCDK8
SCHEMBL31580729 0.88 PDK2 (0.45) CCNCCDK8KDM1A
SCHEMBL31580921 0.88 PDK2 (0.45) CCNCCDK8KDM1A
SCHEMBL31580581 0.88 PDK2 (0.45) CCNCCDK8KDM1A
SCHEMBL31580423 0.88 PDK2 (0.45) CCNCCDK8KDM1A
SCHEMBL31580766 0.87 HPGD (0.43) FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106722-A1 INHIBITORS OF STK33, RET, CLK, AND/OR RELATED KINASES AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2025-05-22 WO claimed
WO-2025106722-A1 INHIBITORS OF STK33, RET, CLK, AND/OR RELATED KINASES AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2025-05-22 WO disclosed