SCHEMBL17207635

SCHEMBL17207635

CC(C)(N)OC(=O)N1CCN(c2nncc(-c3cc(F)ccc3F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.51
▸ FAAH O00519 4/20 0.48
▸ LMNA P02545 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PTPN11 Q06124 1/20 0.36

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
SCHEMBL18502952 0.92 CYP11B2 (0.52) CYP11B2FAAHLMNAGPR119SMARCA2
SCHEMBL18566765 0.77 CYP11B2 (0.66) CYP11B2FAAH
SCHEMBL17207637 0.76 CYP11B2 (0.65) CYP11B2FAAH
SCHEMBL17207636 0.75 CYP11B2 (0.61) CYP11B2
SCHEMBL18502899 0.70 CYP11B2 (0.52) CYP11B2GPR119MAPTPTPN11
SCHEMBL17207585 0.70 CYP11B2 (0.59) CYP11B2GPR119PIK3CAMAPT
SCHEMBL3269713 0.69 FAAH (0.61) FAAHLMNAGPR119SMARCA2SMARCA4
SCHEMBL18502914 0.69 SCD5 (0.45) CYP11B2GPR119SMARCA2SMARCA4PBRM1
SCHEMBL20293573 0.68 GPR119 (0.58) LMNAGPR119CCNT1CDK9MAPT
SCHEMBL17207592 0.68 CYP11B2 (0.59) CYP11B2GPR119PTPN11

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-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 — — WO disclosed
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