SCHEMBL24577174

SCHEMBL24577174

CC1=CNC(C)C(NC(=O)c2cnn3cc(-c4cnn(CC(N)=O)c4)sc23)=C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ PRKAB2 O43741 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ SIK1 P57059 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SIK3 Q9Y2K2 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL24578874 0.87 IKBKE (0.40) IKBKETBK1PRKAB2ABL1CSF1R
SCHEMBL24577112 0.86 HDAC6 (0.34) IKBKETBK1BRD4
SCHEMBL24577155 0.82 IKBKE (0.34) IKBKETBK1
SCHEMBL24578299 0.81 IKBKE (0.42) IKBKETBK1
SCHEMBL24577132 0.80 NAMPT (0.38) —
SCHEMBL24578567 0.79 IKBKE (0.34) IKBKETBK1
SCHEMBL24577993 0.79 MAPT (0.31) —
SCHEMBL24577200 0.78 HDAC6 (0.33) IKBKETBK1BRD4
SCHEMBL24579014 0.76 — —
SCHEMBL24577143 0.76 KMT2A (0.33) —

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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