SCHEMBL14237374

SCHEMBL14237374

Nc1ncc(-c2cccc(OCCN3CCN(C(=O)O)C(Cc4ccccc4)C3)c2)nc1C(=O)N[C@H]1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.43
TYRO3 Q06418 4/20 0.41
HTR7 P34969 2/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
PRKDC P78527 1/20 0.39
ACVR1 Q04771 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CDK2AP1 O14519 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL3461876 0.85 ATR (0.46) ATRTYRO3PRKDCCCNE2CCNE1
SCHEMBL3460952 0.85 ATR (0.45) ATRTYRO3AXLMERTKPRKDC
SCHEMBL3460685 0.83 ACVR1 (0.50) ATRTYRO3ACVR1CCNE2CCNE1
SCHEMBL3460004 0.81 TYRO3 (0.53) ATRTYRO3PRKDCACVR1CDK2AP1
SCHEMBL3460859 0.79 TYRO3 (0.52) ATRTYRO3PRKDCACVR1CDK2AP1
SCHEMBL3459733 0.78 TYRO3 (0.55) ATRTYRO3PRKDCACVR1CDK2AP1
SCHEMBL14237322 0.78 ATR (0.46) ATRTYRO3HTR7PRKDCCCNE2
SCHEMBL3462056 0.77 CHEK1 (0.62) ATRTYRO3PRKDCACVR1CDK2AP1
SCHEMBL3460835 0.77 TYRO3 (0.65) ATRTYRO3PRKDCACVR1CHEK1
SCHEMBL3459906 0.76 TYRO3 (0.55) ATRTYRO3ACVR1

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed