SCHEMBL4306642

SCHEMBL4306642

COc1nc(NCc2cc(C3CC3)no2)ncc1Nc1cc(OC(C)C)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.45
FGFR1 P11362 2/20 0.45
KDR P35968 2/20 0.45
NTRK1 P04629 3/20 0.38
CDK2 P24941 1/20 0.38
NTRK2 Q16620 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
SCHEMBL3930104 0.82 IGF1R (0.53) IGF1RFGFR1KDR
SCHEMBL3934000 0.82 IGF1R (0.65) IGF1RFGFR1KDR
SCHEMBL4161724 0.82 IGF1R (0.65) IGF1RFGFR1KDR
SCHEMBL4010595 0.79 IGF1R (0.60) IGF1RFGFR1KDR
SCHEMBL5110595 0.78 IGF1R (0.59) IGF1RFGFR1KDR
SCHEMBL4010335 0.76 IGF1R (0.55) IGF1RFGFR1KDR
SCHEMBL4014128 0.72 IGF1R (0.51) IGF1RFGFR1KDR
SCHEMBL4009835 0.71 IGF1R (0.69) IGF1RFGFR1KDRNTRK1CDK2
SCHEMBL3926892 0.68 IGF1R (0.50) IGF1RFGFR1KDR
SCHEMBL3939418 0.68 IGF1R (0.63) IGF1RFGFR1KDR

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-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed