SCHEMBL20194183

SCHEMBL20194183

CC(C)c1nnc(-c2cccc(N/C(=N/C=N)c3[nH]ccc3CN3CCNCC3)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 16/20 0.52
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL20194217 0.90 AAK1 (0.53) AAK1POLBKMT2A
SCHEMBL20194218 0.89 AAK1 (0.54) AAK1
SCHEMBL20194220 0.87 AAK1 (0.54) AAK1POLBKMT2A
SCHEMBL20194231 0.86 AAK1 (0.54) AAK1POLBKMT2A
SCHEMBL20194219 0.80 AAK1 (0.50) AAK1
SCHEMBL20194192 0.75 CHRM3 (0.34) —
SCHEMBL20194155 0.72 AAK1 (0.53) AAK1
SCHEMBL20194163 0.72 AAK1 (0.38) AAK1POLBKMT2A
SCHEMBL16636337 0.68 AAK1 (1.00) AAK1
SCHEMBL20194154 0.67 AAK1 (0.46) AAK1

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-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
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