SCHEMBL3434370

SCHEMBL3434370

CC1=C(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(c2ccccc2)c2c(n(-c3ccccc3)c(=O)[nH]c2=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
MAOB P27338 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
FAP Q12884 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
SCHEMBL13013567 0.94 MAOB (0.44) BRD4BRD2BRD3BRDTMAOB
SCHEMBL3433034 0.77 BRD4 (0.48) CACNA1BBRD4BRD2BRD3BRDT
SCHEMBL9976375 0.76 BRD4 (0.48) BRD4BRD2BRD3BRDTMAPT
SCHEMBL2725332 0.74 BRD4 (0.60) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13014246 0.73 ADORA3 (0.42) CACNA1CBRD4BRD2BRD3BRDT
SCHEMBL13012739 0.73 BRD4 (0.46) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL3434420 0.70 CACNA2D1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CMAOB
SCHEMBL3434014 0.69 BRD4 (0.45) BRD4BRD2BRD3BRDTMAPT
SCHEMBL3434768 0.68 BRD4 (0.39) BRD4BRD2BRD3BRDTMAPT
SCHEMBL3435004 0.68 BRD4 (0.48) BRD4BRD2BRD3BRDTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed