SCHEMBL885847

SCHEMBL885847

CN(c1cnc2[nH]c(-c3ccccn3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F.COc1ccc(-c2cc3cc(N(C)c4cc(C(=O)NC5CC5)ccc4F)cnc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
DCK P27707 1/20 0.41
GRM5 P41594 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLK7 P49862 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 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
SCHEMBL2060253 0.93 RIPK1 (0.48) RIPK1DCKGRM5ALDH1A1LMNA
SCHEMBL885846 0.92 KDR (0.41) RIPK1DCKGRM5ALDH1A1LMNA
SCHEMBL2060124 0.92 RIPK1 (0.47) RIPK1GRM5SMN1; SMN2MCHR1
SCHEMBL2060043 0.86 RIPK1 (0.52) RIPK1DCKGRM5SMN1; SMN2SMYD3
SCHEMBL885848 0.83 RIPK1 (0.47) RIPK1DCKGRM5CCNB2CDK1
SCHEMBL885700 0.82 RIPK1 (0.53) RIPK1GRM5SMYD3KITMCHR1
SCHEMBL885793 0.79 RIPK1 (0.42) RIPK1GRM5SMN1; SMN2MCHR1HPGDS
SCHEMBL885593 0.76 MCHR1 (0.45) RIPK1GRM5SMN1; SMN2SMYD3MCHR1
SCHEMBL885585 0.75 RIPK1 (0.45) RIPK1KITMCHR1ULK1
SCHEMBL2060255 0.74 RIPK1 (0.47) RIPK1DCKSMYD3MCHR1HPGDS

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-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP claimed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO claimed