SCHEMBL19365578

SCHEMBL19365578

Cc1cncc(NC(=O)N(c2nc(-c3cccc(Cl)c3)ccc2N)C2CC[C@H]2O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.36
▸ ATR Q13535 1/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PRMT5 O14744 5/20 0.34
▸ WDR77 Q9BQA1 5/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL19365547 0.90 ATR (0.35) BRAFATRCNR2ABL1KDR
SCHEMBL19365680 0.88 TSHR (0.44) ATRCNR2ABL1
SCHEMBL19365509 0.88 PHGDH (0.38) CNR2SCN10AFYNMCHR1
SCHEMBL19365679 0.83 POLB (0.41) BRAFATRCNR2GRM5
SCHEMBL19365668 0.83 BRAF (0.43) BRAFATRCNR2FYN
SCHEMBL19365772 0.82 ABL1 (0.38) CNR2ABL1PTGER4
SCHEMBL19365852 0.81 MPL (0.41) ATRCNR2ABL1GRM5
SCHEMBL19365839 0.81 CNR2 (0.51) ATRCNR2GRM5
SCHEMBL19365584 0.80 BRAF (0.36) BRAFATRCNR2KDRGRM5
SCHEMBL19365601 0.80 CNR1 (0.36) CNR2ABL1GRM5

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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