SCHEMBL9830225

SCHEMBL9830225

COc1ccc2c(Br)cc(C(F)(F)F)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ RET P07949 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FER P16591 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CLK2 P49760 1/20 0.43

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
SCHEMBL30344360 0.89 NT5E (0.45) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL25156382 0.89 NT5E (0.45) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL15488469 0.88 NT5E (0.57) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL2711790 0.83 NT5E (0.51) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL2711168 0.82 NT5E (0.50) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL19148578 0.79 NT5E (0.48) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL9830025 0.78 NT5E (0.50) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL5256820 0.78 NPSR1 (0.54) ALDH1A1KMT2AMEN1KDM4EDYRK1A
SCHEMBL11831263 0.78 NT5E (0.45) NT5EALDH1A1KMT2AKDM4EMAP4K4
SCHEMBL11837223 0.76 NT5E (0.51) NT5EALDH1A1KDM4ERETCLK2

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-0096214-B1 ANTIBACTERIAL PYRIMIDINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-02-27 — — EP disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 — — EP disclosed
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