SCHEMBL20060217

SCHEMBL20060217

CN/C(Cc1ccccc1OC)=C1\C(=N)CCc2cnc(Nc3ccccc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.55
CDK2 P24941 6/20 0.43
CCNA2 P20248 5/20 0.43
CCNA1 P78396 4/20 0.42
CDK4 P11802 3/20 0.42
AURKA O14965 3/20 0.42
TTK P33981 2/20 0.42
CCND3 P30281 2/20 0.42
PLK1 P53350 2/20 0.42
CDK6 Q00534 2/20 0.42
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
PTK2 Q05397 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
SCHEMBL10191252 0.85 IGF1R (0.55) IGF1RCDK2CCNA2CCNA1CDK4
SCHEMBL20060172 0.85 IGF1R (0.48) IGF1RCDK2CCNA2CCNA1CDK4
SCHEMBL20060051 0.82 CDK2 (0.48) IGF1RCDK2CCNA2CCNA1CDK4
SCHEMBL20060009 0.80 IGF1R (0.51) IGF1RCDK2CCNA2CCNA1CDK4
SCHEMBL20060166 0.80 IGF1R (0.57) IGF1RCDK2CCNA2CCNA1AURKA
SCHEMBL10191245 0.80 IGF1R (0.65) IGF1R
SCHEMBL20059940 0.79 IGF1R (0.56) IGF1RCDK2CCNA2CCNA1AURKA
SCHEMBL20060236 0.78 CDK2 (0.50) IGF1RCDK2CCNA2CCNA1CDK4
SCHEMBL20059964 0.75 IGF1R (0.52) IGF1RCDK2CCNA2CCNA1AURKA
SCHEMBL10191484 0.74 IGF1R (0.63) IGF1RCDK2CCNA2CCNA1TTK

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-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed