SCHEMBL29190656

SCHEMBL29190656

Cc1cnc(Nc2ccc3c(N4CCN(C)CC4)[nH]nc3c2)nc1Nc1ccccc1NS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.57
ALK Q9UM73 2/20 0.54
FLT3 P36888 1/20 0.54
EGFR P00533 2/20 0.50
JAK1 P23458 2/20 0.49
BRD2 P25440 2/20 0.49
JAK3 P52333 2/20 0.49
BRD3 Q15059 2/20 0.49
BRDT Q58F21 2/20 0.49
JAK2 O60674 1/20 0.49
ROS1 P08922 1/20 0.47

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
SCHEMBL29190668 0.91 EGFR (0.57) BRD4ALKFLT3EGFRJAK3
SCHEMBL29190659 0.91 ALK (0.53) BRD4ALKFLT3EGFRROS1
SCHEMBL29190605 0.77 ALK (0.67) BRD4ALKFLT3EGFRROS1
SCHEMBL29190563 0.77 ALK (0.64) ALKFLT3EGFRROS1
SCHEMBL29190642 0.76 ALK (0.59) BRD4ALKFLT3EGFRJAK1
SCHEMBL29190535 0.75 ALK (0.53) BRD4ALKFLT3EGFRJAK3
SCHEMBL29190702 0.75 ALK (0.53) BRD4ALKFLT3EGFRROS1
SCHEMBL29190583 0.74 EGFR (0.59) BRD4ALKFLT3EGFRJAK3
SCHEMBL29190637 0.74 ALK (0.65) BRD4ALKFLT3EGFRROS1
SCHEMBL29190622 0.74 GLO1 (0.53) ALKFLT3EGFR

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
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed