SCHEMBL172147

SCHEMBL172147

C=C(C)c1cncc(C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 2/20 0.32
P2RX7 Q99572 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL30092232 0.81 P2RX7 (0.31) P2RX7IDH1
SCHEMBL9928616 0.81 P2RX7 (0.38) CBLBP2RX7IDH1
SCHEMBL29552743 0.78 KDM4E (0.34) CBLB
SCHEMBL30305706 0.78 P2RX7 (0.36) CBLBP2RX7
SCHEMBL26675086 0.78 KDM4E (0.34) CBLB
SCHEMBL26981246 0.76 KDM4E (0.37) CBLB
SCHEMBL29947388 0.76 KDM4E (0.37) CBLB
SCHEMBL1578654 0.74 KDM4E (0.41) CBLBP2RX7
SCHEMBL3291771 0.73 IDH1 (0.39) IDH1
SCHEMBL15542377 0.73 KMT2A (0.44) CBLBP2RX7

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-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed