SCHEMBL20053430

SCHEMBL20053430

C1=CN=Cc2c(ccc3cnccc23)N=1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.39
▸ CCNT1 O60563 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ ERN1 O75460 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL445595 0.66 IMPDH2 (0.58) IMPDH2PIM1LMNACYP1A2CYP3A4
SCHEMBL26425563 0.66 HASPIN (0.36) CCNT1PIM1CDK9HASPINPRKCZ
Bromide SCHEMBL27922950 0.64 IMPDH2 (0.56) IMPDH2PIM1LMNACYP1A2CYP3A4
SCHEMBL20053429 0.62 IMPDH2 (0.36) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL11535030 0.60 CLK1 (0.41) IMPDH2PIM1HASPINKDM4EPRKCZ
SCHEMBL19413689 0.59 KDM4E (0.38) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12532558 0.59 IMPDH2 (0.50) IMPDH2CCNT1PIM1CDK9HASPIN
SCHEMBL13859948 0.59 IMPDH2 (0.50) IMPDH2PIM1LMNACYP1A2CYP3A4
SCHEMBL1419181 0.59 IMPDH2 (0.50) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2313911 0.59 IMPDH2 (0.50) IMPDH2PIM1LMNACYP1A2CYP3A4

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-9947877-B2 Organic light emitting display device LG DISPLAY CO., LTD. (KR) 2018-04-17 — — US disclosed
Send feedback