SCHEMBL20194169

SCHEMBL20194169

Cn1ccc(-c2cccc(N/C(=N/C=N)c3[nH]ccc3CN3CCC(N)CC3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.51
▸ ALPL P05186 3/20 0.36
▸ ALPI P09923 3/20 0.34
▸ ALPG P10696 3/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ SYK P43405 1/20 0.33

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
SCHEMBL20194163 0.84 AAK1 (0.38) AAK1ALPLALPIALPGEGFR
SCHEMBL20194227 0.83 AAK1 (0.51) AAK1
SCHEMBL20194154 0.82 AAK1 (0.46) AAK1ALPLALPIALPGEGFR
SCHEMBL20194179 0.82 F10 (0.44) AAK1EGFRERBB2
SCHEMBL20194155 0.81 AAK1 (0.53) AAK1
SCHEMBL20194187 0.80 CCR3 (0.34) AAK1EGFRERBB2
SCHEMBL20194170 0.80 F10 (0.37) AAK1EGFRERBB2
SCHEMBL20194162 0.78 F10 (0.34) AAK1EGFRERBB2
SCHEMBL20194223 0.78 AAK1 (0.53) AAK1
SCHEMBL20194226 0.78 AAK1 (0.33) AAK1ALPLEGFRERBB2

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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