SCHEMBL20420601

SCHEMBL20420601

O=C(OCc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(Oc3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.49
▸ UBE2B P63146 1/20 0.49
▸ GLO1 Q04760 1/20 0.46
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ CDK1 P06493 4/20 0.42
▸ PIN1 Q13526 2/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ ULK1 O75385 1/20 0.41

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
SCHEMBL1163979 0.86 PTK2 (0.54) PTK2
SCHEMBL24752394 0.79 PTK2 (0.52) PTK2GLO1GSK3AGSK3BCDK1
SCHEMBL2523864 0.79 GLO1 (0.54) PTK2GLO1GSK3AGSK3BKDR
SCHEMBL30002940 0.75 GSK3A (0.51) PTK2GLO1GSK3AGSK3BKDR
SCHEMBL1163656 0.74 PTK2 (0.55) PTK2
SCHEMBL1163738 0.73 PTK2 (0.67) PTK2
SCHEMBL523154 0.72 KMT2A (0.67) NPC1MAPTRAB9A
SCHEMBL2520165 0.70 PTK2 (0.54) PTK2GLO1GSK3AGSK3BCDK1
SCHEMBL16695904 0.70 HTR2A (0.56) NPC1MAPTRAB9APKM
SCHEMBL28766797 0.69 HTT (0.69) NPC1MAPTRAB9A

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-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 — — EP claimed
EP-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 — — EP disclosed
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