SCHEMBL19921082

SCHEMBL19921082

CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC(F)(F)F)nc2cc[nH]c12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.86
▸ INSR P06213 5/20 0.65
▸ IGF1R P08069 5/20 0.65
▸ TTK P33981 4/20 0.65
▸ PTK2 Q05397 3/20 0.65
▸ PTK2B Q14289 3/20 0.65
▸ FES P07332 3/20 0.65
▸ FLT3 P36888 3/20 0.65
▸ FGFR1 P11362 2/20 0.65
▸ FGFR2 P21802 2/20 0.65
▸ FGFR4 P22455 2/20 0.65
▸ FGFR3 P22607 2/20 0.65
▸ BMPR1B O00238 2/20 0.65
▸ PLK4 O00444 2/20 0.65
▸ GAK O14976 2/20 0.65
▸ ERN1 O75460 2/20 0.65
▸ STK10 O94804 2/20 0.65
▸ ABL1 P00519 2/20 0.65
▸ EGFR P00533 2/20 0.65
▸ LCK P06239 2/20 0.65

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
SCHEMBL14866202 0.82 ALK (0.85) ALKINSRIGF1RTTKPTK2
SCHEMBL19921104 0.82 ALK (0.78) ALKINSRIGF1RTTKPTK2
SCHEMBL12892781 0.82 ALK (0.91) ALKINSRIGF1RTTKPTK2
SCHEMBL21150935 0.81 ALK (0.82) ALKINSRIGF1RTTKPTK2
SCHEMBL19921103 0.81 ALK (0.78) ALKINSRIGF1RTTKPTK2
SCHEMBL14866223 0.81 ALK (0.78) ALKINSRIGF1RTTKPTK2
SCHEMBL26380289 0.80 ALK (0.57) ALKINSRIGF1RTTKPTK2
SCHEMBL14866161 0.79 ALK (0.83) ALKINSRIGF1RTTKPTK2
SCHEMBL14866426 0.79 ALK (0.80) ALKINSRIGF1RTTKPTK2
SCHEMBL14866424 0.79 ALK (0.78) ALKINSRIGF1RTTKPTK2

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
EP-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP claimed
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