SCHEMBL31662287

SCHEMBL31662287

CSc1nc(N)c2cnccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.42
CLK1 P49759 1/20 0.40
KDM4E B2RXH2 7/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TERT O14746 3/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
ABCB1 P08183 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5768328 0.86 HASPIN (0.46) HASPINCLK1KDM4ELMNAHTT
SCHEMBL31662056 0.79 KDM4E (0.39) HASPINKDM4ELMNAHTTSMN1; SMN2
SCHEMBL31194906 0.77 CLK1 (0.42) CLK1KDM4ELMNAHTTPOLB
SCHEMBL3816236 0.77 KDM4E (0.59) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL24175001 0.77 CLK1 (0.42) CLK1KDM4ELMNAHTTPOLB
SCHEMBL31235431 0.76 HASPIN (0.42) HASPINKDM4ELMNAHTTSMN1; SMN2
SCHEMBL26157498 0.76 DCPS (0.55) CLK1KDM4EHTTPOLBRAD52
SCHEMBL30901027 0.73 HTT (0.51) CLK1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31662312 0.70 CLK1 (0.38) CLK1KDM4ELMNAHTTPOLB
SCHEMBL15565731 0.69 HASPIN (0.53) HASPINCLK1KDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151594-A1 FUSED AZINES AS RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-07-17 WO disclosed