SCHEMBL31580770

SCHEMBL31580770

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.52
MAPK10 P53779 2/20 0.47
MAPK8 P45983 1/20 0.47
FLT3 P36888 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42

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 0.85 HPGD (0.43) MAPK10MAPK8FLT3RAB9ANPC1
SCHEMBL31581091 0.84 HPGD (0.44) MAPK10MAPK8FLT3RAB9ANPC1
SCHEMBL31580763 0.82 PDK2 (0.45) GRM5
SCHEMBL31580750 0.82 PDK2 (0.45) GRM5
SCHEMBL31580862 0.82 PDK2 (0.45) GRM5
SCHEMBL5377963 0.81 GRM5 (0.47) GRM5MAPK8RAB9ANPC1MAPK1
SCHEMBL31580779 0.79 FLT3 (0.44) MAPK10MAPK8FLT3ACACBACACA
SCHEMBL31580288 0.77 FLT3 (0.46) MAPK10MAPK8FLT3
SCHEMBL31580399 0.77 TLR9 (0.46) GRM5
SCHEMBL31580929 0.77 TLR9 (0.46) GRM5

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