SCHEMBL18645552

SCHEMBL18645552

Fc1cnc(Nc2ccc(N3CCCCC3)cc2)nc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.67
NTRK1 P04629 1/20 0.55
SYK P43405 1/20 0.54
JAK2 O60674 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
SCHEMBL18649367 0.92 IGF1R (0.80) IGF1RNTRK1SYK
SCHEMBL18645551 0.91 IGF1R (0.68) IGF1RNTRK1
SCHEMBL18645548 0.90 IGF1R (0.59) IGF1RNTRK1JAK2
SCHEMBL18645547 0.87 ALK (0.63) IGF1RSYK
SCHEMBL18649471 0.84 IGF1R (0.77) IGF1RNTRK1JAK2
SCHEMBL18645553 0.84 IGF1R (0.66) IGF1RNTRK1JAK2
SCHEMBL18649365 0.83 IGF1R (0.61) IGF1R
SCHEMBL18649366 0.83 IGF1R (0.67) IGF1RNTRK1SYK
SCHEMBL18649472 0.82 IGF1R (0.63) IGF1RNTRK1JAK2
SCHEMBL30981290 0.81 IGF1R (0.66) IGF1RNTRK1

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