SCHEMBL31684751

SCHEMBL31684751

CC(=O)Nc1c(Cl)cc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.68
MAP3K7 O43318 4/20 0.67
BRD4 O60885 9/20 0.67
CDK9 P50750 2/20 0.64
CCNT1 O60563 1/20 0.64
CCNK O75909 1/20 0.64
CYP3A4 P08684 1/20 0.64
CCND3 P30281 1/20 0.64
CDK6 Q00534 1/20 0.64
FGFR1 P11362 2/20 0.62
MAP2K1 Q02750 2/20 0.62
SRC P12931 1/20 0.62
MAPK1 P28482 1/20 0.62
WEE1 P30291 2/20 0.62
SLC2A1 P11166 1/20 0.61
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
DAPK3 O43293 1/20 0.61
JAK2 O60674 1/20 0.61
PRKD3 O94806 1/20 0.61

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
SCHEMBL28980963 1.00 ALK (0.68) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL28980969 0.93 BRD4 (0.64) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL31684801 0.93 BRD4 (0.64) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL31684799 0.90 MAP3K7 (0.72) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL28980964 0.90 MAP3K7 (0.72) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL31684793 0.90 MAP3K7 (0.75) ALKMAP3K7BRD4FGFR1MAP2K1
SCHEMBL28980999 0.90 MAP3K7 (0.75) ALKMAP3K7BRD4FGFR1MAP2K1
SCHEMBL31684797 0.83 BRD4 (0.66) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL28981000 0.83 BRD4 (0.66) ALKMAP3K7BRD4CDK9CCNT1
SCHEMBL28458256 0.83 CCND3 (0.83) ALKMAP3K7CDK9CCNT1CCNK

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-4617261-A1 2,4,5-TRISUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Wenzhou Medical University (CN) 2025-09-17 EP claimed