SCHEMBL18649367

SCHEMBL18649367

Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.80
SYK P43405 1/20 0.67
AURKA O14965 1/20 0.57
AURKB Q96GD4 1/20 0.57
NTRK1 P04629 1/20 0.54

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
SCHEMBL18645552 0.92 IGF1R (0.67) IGF1RSYKNTRK1
SCHEMBL18649366 0.91 IGF1R (0.67) IGF1RSYKNTRK1
SCHEMBL18645551 0.90 IGF1R (0.68) IGF1RNTRK1
SCHEMBL11932243 0.89 IGF1R (1.00) IGF1R
SCHEMBL18645547 0.86 ALK (0.63) IGF1RSYK
SCHEMBL18649471 0.83 IGF1R (0.77) IGF1RNTRK1
SCHEMBL18645553 0.83 IGF1R (0.66) IGF1RNTRK1
SCHEMBL18649365 0.83 IGF1R (0.61) IGF1R
SCHEMBL18645548 0.82 IGF1R (0.59) IGF1RNTRK1
SCHEMBL657421 0.82 SYK (1.00) IGF1RSYKAURKAAURKBNTRK1

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
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed