SCHEMBL7940956

SCHEMBL7940956

Cc1cnc(-n2ccnn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.44
EGLN2 Q96KS0 3/20 0.38
CYP19A1 P11511 1/20 0.36
MAP3K5 Q99683 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNJ1 P48048 1/20 0.33

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
SCHEMBL12248368 0.77 NOTUM (0.45) NOTUMEGLN2CYP19A1KCNJ1
SCHEMBL5612789 0.76 NOTUM (0.56) NOTUMEGLN2CYP19A1CHRM1KCNJ1
SCHEMBL30046228 0.76 NOTUM (0.56) NOTUMEGLN2CYP19A1CHRM1KCNJ1
SCHEMBL17725711 0.73 KCNJ1 (0.58) NOTUMKCNJ1
SCHEMBL10136885 0.73 KDM4E (0.50) NOTUM
SCHEMBL1459170 0.72 NOTUM (0.38) NOTUMEGLN2CYP19A1
SCHEMBL20409464 0.72 NOTUM (0.61) NOTUMCYP19A1
SCHEMBL28173190 0.71 KCNJ1 (0.37) NOTUMEGLN2MAP3K5KCNJ1
SCHEMBL232012 0.71 MAPT (0.55) CHRM1
SCHEMBL30948251 0.69 NOTUM (0.48) NOTUMEGLN2CYP19A1MAP3K5KCNJ1

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-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed