SCHEMBL27806151

SCHEMBL27806151

CSc1nccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
JAK3 P52333 3/20 0.31
EGFR P00533 2/20 0.31
LCK P06239 2/20 0.31
BTK Q06187 2/20 0.31
IGF1R P08069 1/20 0.31
SYK P43405 2/20 0.31
STK17A Q9UEE5 1/20 0.31
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL27826853 0.88 ZAP70 (0.35) ACVR1JAK3EGFRLCKBTK
SCHEMBL27806015 0.87 MAP3K12 (0.37) ACVR1JAK3EGFRLCKBTK
SCHEMBL27806329 0.86 BTK (0.36) TGFBR1JAK3EGFRLCKBTK
SCHEMBL27805887 0.85 NAMPT (0.34) JAK3EGFRLCKBTKSTK17A
SCHEMBL28787067 0.84 JAK3 (0.35) JAK3EGFRLCKBTKIGF1R
SCHEMBL27806366 0.83 IGF1R (0.35) ACVR1JAK3EGFRLCKBTK
SCHEMBL27826747 0.82 JAK2 (0.33) JAK3EGFRLCKBTKIGF1R
SCHEMBL27806061 0.82 JAK2 (0.37) JAK3JAK2PTK2
SCHEMBL27805849 0.82 P2RY14 (0.36) JAK3SYKJAK2PTK2
SCHEMBL28790529 0.82 STK17A (0.38) ACVR1JAK3EGFRLCKBTK

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-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed