SCHEMBL12822215

SCHEMBL12822215

O=C(O)c1ccc2ncn(-c3ccc(OC4CCNCC4)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.58
▸ CHEK2 O96017 1/20 0.45
▸ HPGD P15428 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ PLK1 P53350 2/20 0.42
▸ PLK3 Q9H4B4 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ HRH1 P35367 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL12821922 0.88 FGFR1 (0.54) FGFR1CHEK2HPGDALDH1A1MAPT
SCHEMBL12822123 0.77 FGFR1 (0.78) FGFR1HPGDALDH1A1THRBMAPK1
SCHEMBL4241025 0.76 HRH1 (0.62) CHEK2ALDH1A1HRH1LMNACASP3
SCHEMBL12822160 0.75 FGFR1 (0.62) FGFR1CHEK2HPGDALDH1A1THRB
SCHEMBL3844513 0.74 FGFR1 (0.76) FGFR1HPGDMAPTTP53THRB
Hydrochloric Acid SCHEMBL7986276 0.74 FGFR1 (0.97) FGFR1HPGDALDH1A1MAPK1HTT
SCHEMBL14852471 0.73 NEK2 (0.51) FGFR1CHEK2HPGDALDH1A1MAPT
SCHEMBL12817507 0.73 FGFR1 (0.84) FGFR1HPGDTHRB
SCHEMBL12822193 0.71 FGFR1 (0.71) FGFR1HPGDTHRBDYRK1A
SCHEMBL24075041 0.71 NR4A2 (0.60) FGFR1ALDH1A1MAPTTHRBSENP8

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-2012131501-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AS COT KINASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-10-04 — — WO claimed
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