SCHEMBL21473597

SCHEMBL21473597

COC(C)(C)CC(C)(C)C1CCN(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22297533 0.86
SCHEMBL19033680 0.85 NCF1 (0.41) NCF1
SCHEMBL19957379 0.81 NCF1 (0.38) NCF1
SCHEMBL25630748 0.78 NCF1 (0.35) NCF1
SCHEMBL26378542 0.76
SCHEMBL24737699 0.74 NCF1 (0.33) NCF1
SCHEMBL18754210 0.74 NCF1 (0.33) NCF1
SCHEMBL20230929 0.74 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL20376459 0.74 NCF1 (0.34) NCF1
SCHEMBL17327871 0.74 NCF1 (0.39) NCF1

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
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
WO-2019196938-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF 华东理工大学 2019-10-17 WO disclosed