SCHEMBL4395599

SCHEMBL4395599

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)cc3F)c3ccnc(-c4ccccc4Cl)c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.46
ATRIP Q8WXE1 7/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
BRD4 O60885 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
DGAT2 Q96PD7 2/20 0.40
MAP4K4 O95819 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
LMNA P02545 1/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL2079175 0.92 ATR (0.46) ATRATRIPCNR1CNR2CKS1B
SCHEMBL2080015 0.91 ATR (0.47) ATRATRIPCKS1BSKP1SKP2
SCHEMBL2080810 0.88 ATR (0.48) ATRATRIPCKS1BSKP1SKP2
SCHEMBL2079602 0.86 CCNT1 (0.49) CNR1CNR2CCNT1CCNA2CDK2
SCHEMBL2080062 0.84 MAPK14 (0.51) CNR1CNR2BRD4
SCHEMBL2078753 0.79 MAPK14 (0.52)
SCHEMBL2078410 0.79 GPR119 (0.42) CCNT1LMNA
SCHEMBL2080188 0.79 MAPK14 (0.52) CKS1BSKP1SKP2BRD4
SCHEMBL2080714 0.78 CCNT1 (0.51) CNR1CNR2CCNT1CCNA2CDK2
SCHEMBL2080030 0.77 SYK (0.46) CNR1CNR2CCNT1CCNA2CDK2

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-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 WO disclosed