SCHEMBL21779416

SCHEMBL21779416

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)NC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 7/20 0.70
MERTK Q12866 6/20 0.64
AXL P30530 5/20 0.64
MET P08581 2/20 0.64
TYRO3 Q06418 1/20 0.64
JAK2 O60674 1/20 0.56
BMPR1B O00238 3/20 0.55
BMPR1A P36894 3/20 0.55
TGFBR1 P36897 3/20 0.55
ACVRL1 P37023 3/20 0.55
ACVR1 Q04771 3/20 0.55
NTRK1 P04629 1/20 0.52
GRK5 P34947 1/20 0.51

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
SCHEMBL18611194 0.84 MAP4K3 (0.70) MAP4K3MERTKAXLMETTYRO3
SCHEMBL2387035 0.82 MAP4K3 (0.68) MAP4K3MERTKAXLMETTYRO3
SCHEMBL28762676 0.82 MERTK (0.52) MAP4K3MERTKAXLMETTYRO3
SCHEMBL18616426 0.82 BMPR1B (0.62) MERTKAXLMETTYRO3BMPR1B
SCHEMBL18579542 0.79 MERTK (1.00) MERTKAXLMETTYRO3
SCHEMBL18579605 0.79 MERTK (1.00) MERTKAXLMETTYRO3
SCHEMBL20067676 0.78 MAP4K3 (0.63) MAP4K3MERTKAXLMETTYRO3
SCHEMBL20067660 0.78 MERTK (0.58) MERTKAXLMETTYRO3BMPR1B
SCHEMBL31669084 0.77 MAP4K3 (0.60) MAP4K3MERTKAXLMETTYRO3
SCHEMBL21460346 0.77 MAP4K3 (0.60) MAP4K3MERTKAXLMETTYRO3

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-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 EP disclosed