SCHEMBL31580766

SCHEMBL31580766

O=C(c1ccc2[nH]nc(C#Cc3ccccc3-c3ccccc3)c2c1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.43
MAPK1 P28482 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
FLT3 P36888 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GFER P55789 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
PLA2G7 Q13093 1/20 0.41
GAA P10253 1/20 0.41
GHSR Q92847 1/20 0.41
L3MBTL3 Q96JM7 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
SCHEMBL31581091 0.99 HPGD (0.44) HPGDMAPK1MAPK8MAPK10FLT3
SCHEMBL31580779 0.93 FLT3 (0.44) MAPK8MAPK10FLT3BTKACACB
SCHEMBL31580288 0.92 FLT3 (0.46) MAPK8MAPK10FLT3BTKMGLL
SCHEMBL31580731 0.88 TRPV1 (0.40) HPGDACACBACACAMGLL
SCHEMBL31580409 0.87 KDR (0.45) FLT3
SCHEMBL31580341 0.87 PDK2 (0.43) HPGDNPC1RAB9AL3MBTL1L3MBTL3
SCHEMBL31580699 0.87 KDR (0.45) FLT3
SCHEMBL31581037 0.87 KDR (0.45) FLT3
SCHEMBL31580625 0.87 PDK2 (0.43) HPGDNPC1RAB9AL3MBTL1L3MBTL3
SCHEMBL31580770 0.85 GRM5 (0.52) HPGDMAPK1MAPK8MAPK10FLT3

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