SCHEMBL19364815

SCHEMBL19364815

CN(C)c1ccc(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCC3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.46
▸ NR3C1 P04150 1/20 0.37
▸ ATR Q13535 2/20 0.36
▸ SYK P43405 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ RPLP1 P05386 1/20 0.35
▸ RPLP0 P05388 1/20 0.35
▸ RPS17 P08708 1/20 0.35
▸ RPSA P08865 1/20 0.35
▸ RPS2 P15880 1/20 0.35
▸ RPL35A P18077 1/20 0.35
▸ RPL7 P18124 1/20 0.35
▸ RPL17 P18621 1/20 0.35
▸ RPS4Y1 P22090 1/20 0.35
▸ RPS3 P23396 1/20 0.35
▸ RPS12 P25398 1/20 0.35
▸ RPL13 P26373 1/20 0.35
▸ RPL10 P27635 1/20 0.35

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
SCHEMBL20632636 0.91 GRM5 (0.41) GRM5NR3C1ATRSYKLCK
SCHEMBL19365323 0.87 GRM5 (0.41) GRM5ATRLMNA
SCHEMBL19365764 0.86 EGFR (0.44) GRM5ATRBTKPIK3CA
SCHEMBL19706072 0.84 DYRK1A (0.41) GRM5RPLP1RPLP0RPS17RPSA
SCHEMBL19365441 0.83 ATR (0.48) ATRLMNA
SCHEMBL19365577 0.83 GRM5 (0.38) GRM5ATRLCK
SCHEMBL19364828 0.82 SLC6A9 (0.41) GRM5BTKLMNA
SCHEMBL19670409 0.81 PRMT5 (0.42) GRM5ATRLCKLMNA
SCHEMBL19365583 0.81 ABL1 (0.38) GRM5ATR
SCHEMBL19365419 0.81 EGFR (0.42) GRM5KCNH2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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