SCHEMBL5770155

SCHEMBL5770155

Clc1cc(C2CC2)nc(Cl)n1.Clc1nc(Nc2cc(C3CC3)[nH]n2)cc(C2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.49
PIK3C3 Q8NEB9 1/20 0.47
NEK1 Q96PY6 1/20 0.43

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
SCHEMBL3853457 0.95 IGF1R (0.53) IGF1RPIK3C3NEK1
SCHEMBL2319952 0.91 PIK3C3 (0.55) IGF1RPIK3C3NEK1
SCHEMBL5816922 0.89 PIK3C3 (0.54) IGF1RPIK3C3NEK1
SCHEMBL29539700 0.85 PIK3C3 (0.50) IGF1RPIK3C3NEK1
SCHEMBL22917390 0.85 PIK3C3 (0.50) IGF1RPIK3C3NEK1
SCHEMBL5823478 0.83 AURKA (0.40) IGF1RPIK3C3
SCHEMBL5819731 0.81 IGF1R (0.48) IGF1RPIK3C3
SCHEMBL2321718 0.80 IGF1R (0.68) IGF1R
SCHEMBL22535344 0.77 PIK3C3 (0.53) IGF1RPIK3C3NEK1
SCHEMBL3854177 0.77 IGF1R (0.52) IGF1R

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-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 WO disclosed