SCHEMBL19981744

SCHEMBL19981744

CC[C@@H]1CCN=C(Nc2cc(-c3ccc(F)c(NC(=O)c4ccc(N(C)CC)nc4)c3)n[nH]c2=O)C=C1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.35
JAK2 O60674 1/20 0.33
MCHR1 Q99705 1/20 0.32
MAPK14 Q16539 1/20 0.31
SMO Q99835 1/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
KDR P35968 1/20 0.31
HDAC1 Q13547 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL9984746 0.79 BTK (0.45) BTKMAPK14SMOCXCR1CXCR2
SCHEMBL9984917 0.71 BTK (0.43) BTK
SCHEMBL2464530 0.70 MPL (0.43) BTKHDAC1
SCHEMBL9985149 0.66 BTK (0.43) BTK
SCHEMBL2492909 0.64 BTK (0.49) BTKMAPK14SMOHDAC1
SCHEMBL2461857 0.64 BTK (0.43) BTKJAK2KDRHDAC1
SCHEMBL2494331 0.64 BTK (0.48) BTK
SCHEMBL9984813 0.63 BTK (0.45) BTK
SCHEMBL9985063 0.63 BTK (0.45) BTKJAK2MAPK14TP53
SCHEMBL12045185 0.63 CCNA2 (0.48) BTK

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed