SCHEMBL19928660

SCHEMBL19928660

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cncc(-c5cc(C)cs5)c4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.82
▸ NR2C2 P49116 4/20 0.82
▸ HCK P08631 4/20 0.82
▸ GCK P35557 1/20 0.82
▸ EPHA2 P29317 3/20 0.78
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ RAD52 P43351 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ CSF1R P07333 4/20 0.63
▸ KIT P10721 4/20 0.63

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
SCHEMBL19928677 0.90 EPHA2 (0.81) BTKNR2C2HCKGCKEPHA2
SCHEMBL16810246 0.90 BTK (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL29435037 0.87 EPHA2 (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL20136698 0.87 EPHA2 (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL29496427 0.87 EPHA2 (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL18177735 0.86 BTK (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL18177734 0.85 BTK (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL18170278 0.84 BTK (0.88) BTKNR2C2HCKGCKEPHA2
SCHEMBL16810176 0.83 BTK (1.00) BTKNR2C2HCKGCKEPHA2
SCHEMBL20355914 0.82 EPHA2 (0.95) BTKNR2C2HCKGCKEPHA2

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-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 — — US disclosed
Send feedback