SCHEMBL13740980

SCHEMBL13740980

O=C1Cc2cnc(N3CCN(c4ncccn4)CC3)nc2CN1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MAPT P10636 9/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TP53 P04637 3/20 0.44
▸ HSP90AB1 P08238 7/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19948805 0.86 SMN1; SMN2 (0.48) POLBSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL9839114 0.70 LMNA (0.58) POLBSMN1; SMN2MAPTLMNATP53
SCHEMBL6663539 0.67 — —
SCHEMBL10498542 0.67 LMNA (0.70) POLBSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL2806475 0.66 POLB (0.57) POLBSMN1; SMN2MAPTLMNATP53
SCHEMBL9933161 0.65 AHR (0.38) —
SCHEMBL2810511 0.65 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL13740977 0.65 POLB (0.40) POLBSMN1; SMN2MAPTLMNATP53
SCHEMBL9685225 0.63 MKNK2 (0.51) POLBSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL10519806 0.63 ALDH1A1 (0.44) SMN1; SMN2TP53KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702064-A1 KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2014-03-05 — — EP disclosed
WO-2012149567-A1 KINASE INHIBITORS MOUNT SINAI SCHOOL OF MEDICINE (US) 2012-11-01 — — WO disclosed
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