SCHEMBL19928677

SCHEMBL19928677

CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cncc(-c5cc(C)cs5)c4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.81
▸ BTK Q06187 6/20 0.67
▸ HCK P08631 4/20 0.67
▸ NR2C2 P49116 4/20 0.67
▸ GCK P35557 1/20 0.67
▸ CSF1R P07333 2/20 0.62
▸ KIT P10721 2/20 0.62
▸ MAPT P10636 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ ATM Q13315 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ RAD52 P43351 1/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ UBE2N P61088 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ EGFR P00533 2/20 0.55
▸ BRAF P15056 2/20 0.55

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
SCHEMBL19928660 0.90 BTK (0.82) EPHA2BTKHCKNR2C2GCK
SCHEMBL16810247 0.90 EPHA2 (1.00) EPHA2BTKHCKNR2C2GCK
SCHEMBL20355914 0.87 EPHA2 (0.95) EPHA2BTKHCKNR2C2GCK
SCHEMBL29435037 0.83 EPHA2 (1.00) EPHA2BTKHCKNR2C2GCK
SCHEMBL29496427 0.83 EPHA2 (1.00) EPHA2BTKHCKNR2C2GCK
SCHEMBL20136698 0.83 EPHA2 (1.00) EPHA2BTKHCKNR2C2GCK
SCHEMBL16810246 0.81 BTK (1.00) EPHA2BTKHCKNR2C2GCK
SCHEMBL26214307 0.80 EPHA2 (0.84) EPHA2BTKHCKNR2C2GCK
SCHEMBL16810176 0.79 BTK (1.00) EPHA2BTKHCKNR2C2GCK
SCHEMBL16810169 0.78 BTK (1.00) EPHA2BTKHCKNR2C2GCK

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
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