SCHEMBL7888586

SCHEMBL7888586

CN1CCN(c2cc3c(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)ncnc3cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.63
EIF2AK2 P19525 1/20 0.50
ERBB2 P04626 4/20 0.48
BRAF P15056 3/20 0.45
ERBB4 Q15303 2/20 0.43
KDR P35968 2/20 0.42
BRD4 O60885 2/20 0.42
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
CDK4 P11802 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL7888585 0.81 EGFR (0.61) EGFRERBB2ERBB4AURKB
SCHEMBL3324098 0.78 EGFR (0.57) EGFRERBB2BRAFKMT2AAURKB
SCHEMBL7890194 0.77 EGFR (0.60) EGFRERBB2BRAFERBB4KMT2A
Hydrochloric Acid SCHEMBL7880806 0.77 EGFR (0.56) EGFRERBB2BRAFKMT2AAURKB
SCHEMBL7890444 0.76 EGFR (0.47) EGFRERBB2BRAFKDRKMT2A
SCHEMBL8368308 0.75 EGFR (0.49) EGFRERBB2BRAFERBB4KDR
SCHEMBL6770211 0.75 ERBB2 (0.69) EGFRERBB2ERBB4KMT2A
SCHEMBL8365522 0.73 EGFR (0.47) EGFRERBB2ERBB4KDRAURKA
SCHEMBL6979258 0.73 ABCG2 (0.69) EGFRERBB2ERBB4KDRKMT2A
SCHEMBL2987637 0.73 EGFR (0.73) EGFRERBB2BRAFKMT2A

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
US-6169091-B1 TREATMENT OF PSORIASIS, FIBROSIS, ATHEROSCLEROSIS, RESTENOSIS, AUTO-IMMUNE DISEASE, ALLERGY, ASTHMA GLAXO WELLCOME INC. 2001-01-02 US disclosed