SCHEMBL31580731

SCHEMBL31580731

O=C1CCN(C(=O)c2ccc3[nH]nc(C#Cc4ccccc4-c4ccccc4)c3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
CDK4 P11802 10/20 0.38
CCND1 P24385 10/20 0.38
MGLL Q99685 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
MTHFD2 P13995 2/20 0.37
HPGD P15428 1/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35

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
SCHEMBL31580766 0.88 HPGD (0.43) MGLLACACBACACAHPGD
SCHEMBL31580561 0.88 TLR8 (0.41) CDK4MGLLACACBACACAABL1
SCHEMBL31581091 0.87 HPGD (0.44) ACACBACACAHPGD
SCHEMBL31580288 0.86 FLT3 (0.46) CDK4MGLLABL1BCR
SCHEMBL31580625 0.83 PDK2 (0.43) HPGD
SCHEMBL31580779 0.83 FLT3 (0.44) CDK4ACACBACACAABL1BCR
SCHEMBL31580341 0.83 PDK2 (0.43) HPGD
SCHEMBL31580409 0.83 KDR (0.45)
SCHEMBL31580699 0.83 KDR (0.45)
SCHEMBL31581040 0.83 CCNC (0.36) MGLLACACBACACAABL1BCR

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