SCHEMBL28057750

SCHEMBL28057750

CCC(=O)N1CCC(n2cc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.49
FGFR4 P22455 1/20 0.49
ADK P55263 10/20 0.49
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
HASPIN Q8TF76 1/20 0.47
FGFR2 P21802 2/20 0.46
EGFR P00533 3/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
SRC P12931 2/20 0.45

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
SCHEMBL16236406 0.87 RET (0.52) FGFR1FGFR4ADKMTORRAB9A
SCHEMBL17818405 0.87 SRC (0.48) FGFR1FGFR4ADKMTORRAB9A
SCHEMBL27217643 0.86 HASPIN (0.53) FGFR1ADKMTORRAB9AHASPIN
SCHEMBL20981728 0.82 EGFR (0.53) FGFR1FGFR4ADKMTORRAB9A
SCHEMBL15720017 0.82 EGFR (0.53) FGFR1FGFR4ADKMTORRAB9A
SCHEMBL20981818 0.82 EGFR (0.53) FGFR1FGFR4ADKMTORRAB9A
SCHEMBL1444035 0.82 SRC (0.64) ADKMTORRAB9AHASPINFGFR2
SCHEMBL29503400 0.82 SRC (0.64) ADKMTORRAB9AHASPINFGFR2
SCHEMBL19743546 0.81 MTOR (0.52) FGFR1ADKMTORRAB9AEGFR
SCHEMBL10225976 0.81 ADK (0.47) ADKMTORRAB9AHASPINEGFR

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-105431436-A Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2016-03-23 CN disclosed