SCHEMBL27806366

SCHEMBL27806366

Cc1cc(C)cc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(C=O)NC=C3)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.35
SYK P43405 5/20 0.35
P2RY14 Q15391 1/20 0.34
ZAP70 P43403 2/20 0.34
JAK2 O60674 5/20 0.33
JAK3 P52333 4/20 0.33
PTK2 Q05397 3/20 0.33
ALK Q9UM73 1/20 0.33
BTK Q06187 2/20 0.33
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
ACVR1 Q04771 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL27805849 0.90 P2RY14 (0.36) SYKP2RY14ZAP70JAK2JAK3
SCHEMBL28790529 0.88 STK17A (0.38) IGF1RSYKZAP70JAK2JAK3
SCHEMBL28787067 0.88 JAK3 (0.35) IGF1RSYKP2RY14ZAP70JAK2
SCHEMBL27806015 0.88 MAP3K12 (0.37) IGF1RSYKZAP70JAK2JAK3
SCHEMBL28790511 0.87 JAK3 (0.38) SYKZAP70JAK2JAK3PTK2
SCHEMBL27826853 0.87 ZAP70 (0.35) IGF1RSYKZAP70JAK2JAK3
SCHEMBL27826714 0.87 MAP4K1 (0.37) SYKZAP70JAK2JAK3PTK2
SCHEMBL27806329 0.87 BTK (0.36) IGF1RJAK2JAK3PTK2ALK
SCHEMBL27806236 0.87 JAK2 (0.38) SYKZAP70JAK2JAK3PTK2
SCHEMBL27826488 0.87 SYK (0.35) SYKZAP70JAK3BTKEGFR

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