SCHEMBL13435409

SCHEMBL13435409

C=C(C)OC(=O)N1CCC[C@H](NC(=O)c2nc(-c3cccc(CN)c3)cnc2N)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.47
ACVR1 Q04771 5/20 0.46
ACVR2A P27037 1/20 0.45
TGFBR2 P37173 1/20 0.45
TYRO3 Q06418 2/20 0.45
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL3461531 0.89 USP30 (0.56) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3461148 0.87 ATR (0.51) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL14314423 0.82 ATR (0.48) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3824904 0.82 USP30 (0.56) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3462663 0.81 ATR (0.51) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL13435411 0.80 PIM1 (0.44) ATRACVR1ACVR2ATGFBR2USP30
SCHEMBL3462072 0.80 USP30 (0.53) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3461780 0.77 ATR (0.48) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3460708 0.77 ATR (0.53) ATRACVR1ACVR2ATGFBR2TYRO3
SCHEMBL3461414 0.77 ATR (0.55) ATRACVR2ATGFBR2TYRO3USP30

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
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed