SCHEMBL18296409

SCHEMBL18296409

CC1CC[C@H](C)CN1c1cnc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.53
▸ EML4 Q9HC35 3/20 0.53
▸ ALK Q9UM73 3/20 0.53
▸ RET P07949 2/20 0.53
▸ ROS1 P08922 2/20 0.53
▸ LCK P06239 10/20 0.51
▸ JAK3 P52333 8/20 0.51
▸ BTK Q06187 5/20 0.47
▸ SYK P43405 1/20 0.45
▸ EGFR P00533 3/20 0.45
▸ BRD4 O60885 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ SIK1 P57059 1/20 0.43
▸ SIK2 Q9H0K1 1/20 0.43
▸ SIK3 Q9Y2K2 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
SCHEMBL18283766 0.85 JAK3 (0.61) LCKJAK3BTKEGFR
SCHEMBL18283553 0.85 JAK3 (0.61) LCKJAK3BTKEGFR
SCHEMBL18283640 0.85 JAK3 (0.60) FLT3EML4ALKRETROS1
SCHEMBL23081101 0.83 FLT3 (0.57) FLT3EML4ALKRETROS1
SCHEMBL18283733 0.78 JAK3 (0.64) LCKJAK3BTKEGFR
SCHEMBL18296254 0.77 JAK3 (0.55) LCKJAK3BTKEGFR
SCHEMBL23080923 0.76 LCK (0.61) LCKJAK3BTKEGFR
SCHEMBL23081013 0.76 JAK3 (0.77) LCKJAK3BTKEGFR
SCHEMBL23080969 0.74 ALK (0.59) FLT3EML4ALKRETROS1
SCHEMBL18283724 0.73 JAK3 (0.47) LCKJAK3BTKEGFRBRD4

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
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
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