SCHEMBL10639463

SCHEMBL10639463

CNc1nc(N)c(C(F)(F)F)c(F)n1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
IDH2 P48735 1/20 0.31
NOS1 P29475 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
SCHEMBL3561446 0.80 HPGD (0.31) IDH2NOS1
SCHEMBL10641247 0.78 LRRK2 (0.32) IDH2
SCHEMBL10635292 0.74
SCHEMBL10635090 0.74 HSP90AA1 (0.33)
SCHEMBL10638806 0.71 LMNA (0.37) IDH2
SCHEMBL10639099 0.71 PTPN1 (0.38)
SCHEMBL2745624 0.67 TLR8 (0.33) NOS1
SCHEMBL10635259 0.66 ALDH1A1 (0.32)
SCHEMBL2773009 0.66 NOS1 (0.36) CA12CA1CA2CA4CA6
SCHEMBL10639089 0.66 HSP90AA1 (0.37)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114575-B1 2,4-DIAMINO-6-HALOGEN-5-TRIFLUOROMETHYL PYRIMIDINE WITH HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1988-02-03 EP claimed
US-4507146-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1985-03-26 US claimed
EP-0114575-A1 2,4-Diamino-6-halogen-5-trifluoromethyl pyrimidine with herbicidal activity CIBA-GEIGY AG (CH) 1984-08-01 EP claimed
EP-0114575-B1 2,4-DIAMINO-6-HALOGEN-5-TRIFLUOROMETHYL PYRIMIDINE WITH HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed
US-4507146-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1985-03-26 US disclosed
EP-0114575-A1 2,4-Diamino-6-halogen-5-trifluoromethyl pyrimidine with herbicidal activity CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed