Bamifylline

Bamifylline

SCHEMBL28086377

CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C.CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.53

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
LMNA P02545 7/20 0.53
NPSR1 Q6W5P4 4/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 4/20 0.52
RXFP1 Q9HBX9 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ADORA2B P29275 2/20 0.50
JAK2 O60674 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
GLA P06280 1/20 0.49
ADORA1 P30542 1/20 0.48
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47

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
Bamifylline SCHEMBL219043 0.92 RXFP1 (0.60) TSHRLMNANPSR1HTTALDH1A1
Bamifylline SCHEMBL637064 0.91 RXFP1 (0.58) TSHRLMNANPSR1HTTALDH1A1
Bamifylline SCHEMBL1648640 0.90 RXFP1 (0.57) TSHRLMNANPSR1HTTALDH1A1
SCHEMBL684310 0.87 RXFP1 (0.66) TSHRLMNANPSR1HTTALDH1A1
Bamifylline SCHEMBL27460692 0.86 RXFP1 (0.53) TSHRLMNANPSR1HTTALDH1A1
SCHEMBL19829270 0.84 TSHR (0.64) TSHRLMNANPSR1HTTALDH1A1
SCHEMBL6741317 0.82 ADORA2B (0.71) LMNARXFP1SMN1; SMN2ADORA2BMAPT
Bamifylline SCHEMBL28086311 0.80 TSHR (0.44) TSHRLMNANPSR1HTTALDH1A1
Bamifylline SCHEMBL20522800 0.78 USP2 (0.46) TSHRLMNANPSR1HTTALDH1A1
SCHEMBL1334308 0.77 ADORA1 (0.57) TSHRLMNANPSR1HTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 CN disclosed
CN-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 CN disclosed