SCHEMBL7437334

SCHEMBL7437334

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)Cc3c(C#N)cccc3CN)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.41
ITK Q08881 4/20 0.35
TXK P42681 2/20 0.35
ALDH1A1 P00352 1/20 0.34
NTRK1 P04629 3/20 0.34
NTRK2 Q16620 3/20 0.34
ACSL1 P33121 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALOX5AP P20292 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7436191 0.89 F2 (0.44) F2ITKTXKALDH1A1NTRK1
SCHEMBL7115169 0.86 F2 (0.42) F2ITKTXKALDH1A1NTRK1
SCHEMBL7120171 0.81 HDAC1 (0.43) F2ITKTXKNTRK1NTRK2
Hydrochloric Acid SCHEMBL7427082 0.79 F2 (0.59) F2
SCHEMBL7117041 0.77 KCNH2 (0.41) F2ITKALDH1A1NTRK1NTRK2
SCHEMBL7116629 0.76 ITK (0.38) F2ITKALDH1A1ACSL1HDAC1
Hydrochloric Acid SCHEMBL7438891 0.75 F2 (0.57) F2
Hydrochloric Acid SCHEMBL7437071 0.75 F2 (0.56) F2
SCHEMBL7217499 0.74 F2 (0.42) F2ALDH1A1ACSL1HDAC1HDAC8
Hydrochloric Acid SCHEMBL7436811 0.74 F2 (0.56) F2

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-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed