SCHEMBL20242995

SCHEMBL20242995

Oc1ccc(Cl)c(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.70
BRAF P15056 8/20 0.70
MAPK14 Q16539 13/20 0.67
MAPK13 O15264 12/20 0.67
MAPK12 P53778 12/20 0.67
MAPK11 Q15759 12/20 0.67
BRDT Q58F21 1/20 0.67
MAPK9 P45984 1/20 0.60
GCGR P47871 2/20 0.58
CSNK1D P48730 1/20 0.56
CSNK1E P49674 1/20 0.56

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
SCHEMBL28406403 0.88 MAPK13 (0.70) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL7643418 0.82 BRAF (1.00) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL29355176 0.82 BRAF (1.00) RAF1BRAFMAPK14MAPK13MAPK12
Bromide SCHEMBL7648283 0.81 BRAF (0.95) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL28486758 0.80 MAPK14 (1.00) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL6469877 0.80 MAPK14 (1.00) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL6470001 0.80 MAPK14 (0.70) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL12856388 0.80 BRAF (0.90) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL4471392 0.80 MAPK14 (0.79) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL28397228 0.80 MAPK13 (0.70) RAF1BRAFMAPK14MAPK13MAPK12

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
EP-3548030-A1 PRESERVATION OF IMMUNE RESPONSE DURING CHEMOTHERAPY REGIMENS G1 Therapeutics, Inc. (US) 2019-10-09 EP disclosed
WO-2018106729-A1 PRESERVATION OF IMMUNE RESPONSE DURING CHEMOTHERAPY REGIMENS G1 THERAPEUTICS, INC. (US) 2018-06-14 WO disclosed